| SpectraBase Compound ID | KfKxRsA3Iss |
|---|---|
| InChI | InChI=1S/C12H20N5O12P3/c1-26-30(20,21)5-31(22,23)29-32(24,25)27-2-6-8(18)9(19)12(28-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,18-19H,2,5H2,1H3,(H,20,21)(H,22,23)(H,24,25)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1 |
| InChIKey | QZCHGWWZIRTNKT-WOUKDFQISA-N |
| Mol Weight | 519.24 g/mol |
| Molecular Formula | C12H20N5O12P3 |
| Exact Mass | 519.032132 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G7hjKJMTF00 |
|---|---|
| Name | ADENOSINE-5'-DIPHOSPHATOMETHYLPHOSPHONATE, METHYL ESTER |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H20N5O12P3 |
| InChI | InChI=1S/C12H20N5O12P3/c1-26-30(20,21)5-31(22,23)29-32(24,25)27-2-6-8(18)9(19)12(28-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,18-19H,2,5H2,1H3,(H,20,21)(H,22,23)(H,24,25)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1 |
| InChIKey | QZCHGWWZIRTNKT-WOUKDFQISA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | A.V.LEBEDEV, A.I.REZVUKHIN (REVIEW) (1983) Bioorganich.Khim.(Russ. Lang.): v.9,N2, 149-185. |
| NMR Standard | -H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | not reported |